N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride

C20H33ClN2O2 — CID 119722670

IUPACN-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(OCCCCNC(=O)CC(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-16-7-9-19(10-8-16)24-13-4-3-12-22-20(23)14-17(2)18-6-5-11-21-15-18;/h7-10,17-18,21H,3-6,11-15H2,1-2H3,(H,22,23);1H
InChIKeyBBAFTJKXKHLQIZ-UHFFFAOYSA-N
MW368.95 g/mol
LogP3.72
Rot. Bonds9

About N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119722670) has the molecular formula C20H33ClN2O2 and a molecular weight of 368.95 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119722670
Molecular FormulaC20H33ClN2O2
Molecular Weight368.95 g/mol
Exact Mass368.22
IUPAC NameN-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(OCCCCNC(=O)CC(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-16-7-9-19(10-8-16)24-13-4-3-12-22-20(23)14-17(2)18-6-5-11-21-15-18;/h7-10,17-18,21H,3-6,11-15H2,1-2H3,(H,22,23);1H
InChIKeyBBAFTJKXKHLQIZ-UHFFFAOYSA-N
XLogP3.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253
N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119690043
N-[2-(4-methylsulfonylphenoxy)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119777473
N-[3-(2-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119772269
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
CID 119704175
N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119892478
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811297

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119722670) is N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride is Cc1ccc(OCCCCNC(=O)CC(C)C2CCCNC2)cc1.Cl.
What is the InChIKey of N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is BBAFTJKXKHLQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2.ClH/c1-16-7-9-19(10-8-16)24-13-4-3-12-22-20(23)14-17(2)18-6-5-11-21-15-18;/h7-10,17-18,21H,3-6,11-15H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119722670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).